Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.36 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.36 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 2/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bromide SCHEMBL7024209 | 0.87 | NOS3 (0.45) | NOS3NOS2ROCK1CYP19A1JAK2 | |
| Bromide SCHEMBL7017406 | 0.83 | NOS3 (0.45) | NOS3NOS2ROCK1CYP19A1KIF11 | |
| Bromide SCHEMBL7023284 | 0.83 | NOS3 (0.45) | NOS3NOS2KIF11ALDH1A1EGFR | |
| Bromide SCHEMBL7023615 | 0.81 | NOS3 (0.50) | NOS3NOS2ROCK1KIF11MEN1 | |
| Bromide SCHEMBL7019216 | 0.80 | NOS3 (0.39) | NOS3NOS2ROCK1KIF11ALDH1A1 | |
| Bromide SCHEMBL7019878 | 0.78 | NOS3 (0.49) | NOS3NOS2GRM4RAB9AMEN1 | |
| Bromide SCHEMBL7021586 | 0.78 | KIF11 (0.41) | NOS3NOS2ROCK1KIF11MEN1 | |
| Bromide SCHEMBL7020460 | 0.78 | NOS3 (0.45) | NOS3NOS2MEN1KMT2AHDAC6 | |
| Bromide SCHEMBL7021464 | 0.75 | NOS3 (0.41) | NOS3NOS2ROCK1ALDH1A1NPC1 | |
| SCHEMBL3362675 | 0.68 | CYP19A1 (0.40) | CYP19A1KIF11ALDH1A1MEN1POLB |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1268474-A2 | SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001074811-A2 | SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-10-11 | — | — | WO | disclosed |